ACCURATE ABINITIO TREATMENT OF LOW-ENERGY ELECTRON COLLISIONS WITH ETHYLENE

被引:38
|
作者
SCHNEIDER, BI
RESCIGNO, TN
LENGSFIELD, BH
MCCURDY, CW
机构
[1] UNIV CALIF LAWRENCE LIVERMORE NATL LAB,LIVERMORE,CA 94550
[2] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
关键词
D O I
10.1103/PhysRevLett.66.2728
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report the results of a complex Kohn variational calculation of the low-energy electron scattering from ethylene, C2H4. Our calculations are the first to confirm the existence of the Ramsauer-Townsend effect in a molecule which possesses a permanent quadrupole moment and suggest that such minima may be found in electron-scattering cross sections for many nonpolar molecules. The calculations also reveal a low-energy shape resonance in 2B2g symmetry at 1.83 eV, in excellent agreement with both beam and swarm measurements.
引用
收藏
页码:2728 / 2730
页数:3
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